SCHEMBL101653

SCHEMBL101653

COc1cc(CO)ccc1OC(C)=O

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.68
CYP4F2 P78329 1/20 0.66
CYP4A11 Q02928 1/20 0.66
TSHR P16473 1/20 0.58
NR3C1 P04150 1/20 0.54
JUN P05412 1/20 0.53
NFKB1 P19838 1/20 0.53
TNFSF11 O14788 1/20 0.51
LTA4H P09960 2/20 0.51
ALDH1A1 P00352 1/20 0.50
LDHA P00338 1/20 0.50
HTT P42858 1/20 0.49
CFD P00746 1/20 0.49
CA2 P00918 1/20 0.48
TTR P02766 1/20 0.48
POLB P06746 2/20 0.48
VCP P55072 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20734929 0.93 CYP4F2 (0.66) PTGS1CYP4F2CYP4A11TSHRNR3C1
SCHEMBL8010429 0.91 CYP4F2 (0.72) PTGS1CYP4F2CYP4A11TSHRALDH1A1
SCHEMBL2357109 0.87 PTGS1 (0.64) PTGS1CYP4F2CYP4A11TSHRNR3C1
SCHEMBL5133639 0.86 PTGS1 (0.68) PTGS1CYP4F2CYP4A11TSHRNR3C1
Acetic Acid SCHEMBL11795359 0.86 LDHA (0.62) PTGS1CYP4F2CYP4A11ALDH1A1LDHA
Acetic Acid SCHEMBL28278517 0.86 LDHA (0.62) PTGS1CYP4F2CYP4A11ALDH1A1LDHA
SCHEMBL7650416 0.85 PTGS1 (0.66) PTGS1CYP4F2CYP4A11TSHRNR3C1
SCHEMBL20117542 0.85 PTGS1 (0.66) PTGS1CYP4F2CYP4A11TSHRNR3C1
SCHEMBL8779397 0.85 PTGS1 (0.66) PTGS1CYP4F2CYP4A11TSHRNR3C1
SCHEMBL2729631 0.83 PTGS1 (0.64) PTGS1TSHRNR3C1JUNNFKB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731991-B2 Augmenting moieties for anti-inflammatory compounds LEHIGH UNIVERSITY (US) 2023-08-22 US claimed
US-20200369688-A1 Augmenting Moieties for Anti-Inflammatory Compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-11-26 US claimed
US-20180305310-A1 Augmenting Moieties for Anti-Inflammatory Compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-10-25 US claimed
US-20170044096-A1 Augmenting Moieties for Anti-Inflammatory Compounds LEHIGH UNIVERSITY 2017-02-16 US claimed
US-9512068-B2 Augmenting moieties for anti-inflammatory compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-12-06 US claimed
US-20160031804-A1 Augmenting Moieties for Anti-Inflammatory Compounds LEHIGH UNIVERSITY 2016-02-04 US claimed
US-11731991-B2 Augmenting moieties for anti-inflammatory compounds LEHIGH UNIVERSITY (US) 2023-08-22 US disclosed
US-20200369688-A1 Augmenting Moieties for Anti-Inflammatory Compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-11-26 US disclosed
US-10752582-B2 Augmenting moieties for anti-inflammatory compounds LEHIGH UNIVERSITY (US) 2020-08-25 US disclosed
US-20180305310-A1 Augmenting Moieties for Anti-Inflammatory Compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-10-25 US disclosed
US-20170044096-A1 Augmenting Moieties for Anti-Inflammatory Compounds LEHIGH UNIVERSITY 2017-02-16 US disclosed
US-9512068-B2 Augmenting moieties for anti-inflammatory compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-12-06 US disclosed
US-20160031804-A1 Augmenting Moieties for Anti-Inflammatory Compounds LEHIGH UNIVERSITY 2016-02-04 US disclosed
EP-0579129-B1 Thiadiazole derivatives for the treatment of depressive states CT LAB FARM SRL (IT) 1997-03-05 EP disclosed
WO-1996033198-A1 TUMOR PROTEASE ACTIVATED PRODRUGS OF PHOSPHORAMIDE MUSTARD ANALOGS DRUG INNOVATION & DESIGN, INC. (US) 1996-10-24 WO disclosed
EP-0533833-B1 PHOSPHOROUS PRODUGS GLAZIER ARNOLD (US) 1995-12-20 EP disclosed
US-5401853-A Thiadiazole derivatives for the treatment of depressive states LABORATORIO FARMACEUTICO C.T. S.R.L. (IT) 1995-03-28 US disclosed
EP-0579129-A2 Thiadiazole derivatives for the treatment of depressive states LABORATORIO FARMACEUTICO C.T. S.r.l. (IT) 1994-01-19 EP disclosed
EP-0533833-A1 PHOSPHOROUS PRODRUGS. GLAZIER ARNOLD (US) 1993-03-31 EP disclosed
WO-1991019721-A1 PHOSPHOROUS PRODUGS GLAZIER ARNOLD (US) 1991-12-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11731991-B2 Augmenting moieties for anti-inflammatory compounds LTC4S, VCAM1, PTGES PTGS1 12/4885CYP4F2 496/4885CYP4A11 161/4885
US-20180305310-A1 Augmenting Moieties for Anti-Inflammatory Compounds PTGES, PTGES3, LRBA PTGS1 11/4885CYP4F2 875/4885CYP4A11 340/4885
US-10752582-B2 Augmenting moieties for anti-inflammatory compounds PTGES, PTGES3, LRBA PTGS1 11/4885CYP4F2 875/4885CYP4A11 340/4885
US-20160031804-A1 Augmenting Moieties for Anti-Inflammatory Compounds PTGES, ICAM1, VCAM1 PTGS1 9/4885CYP4F2 1504/4885CYP4A11 704/4885
US-20170044096-A1 Augmenting Moieties for Anti-Inflammatory Compounds PTGES, PTGES3, LRBA PTGS1 11/4885CYP4F2 875/4885CYP4A11 340/4885
US-20200369688-A1 Augmenting Moieties for Anti-Inflammatory Compounds LTC4S, VCAM1, PTGES PTGS1 12/4885CYP4F2 496/4885CYP4A11 161/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.